mollipilin C | 1403982-82-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mollipilin C
• 英文别名: (2S,3R,3aS,6S,6aR)-6-[(1E)-buta-1,3-dienyl]-2-[(E)-prop-1-enyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan-3-ol
• CAS: 1403982-82-0
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: JKJIXQDFHDUPAV-FTXQSDARSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  mollipilin C 、 (R)-methoxytrifluoromethylphenylacetyl chloride 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Structural Diversity of New C₁₃-Polyketides Produced by Chaetomium mollipilium Cultivated in the Presence of a NAD⁺-Dependent Histone Deacetylase Inhibitor

  摘要：

  Cultivation of Chaetomium mollipilium with nicotinamide, a NAD(+)-dependent HDAC inhibitor, stimulated its secondary metabolism, leading to the isolation of structurally diverse new C-13-polyketides, mollipilin A-E (1-5) as well as two known compounds (6 and 7). Spectroscopic methods, X-ray single crystal diffraction analysis, and VCD elucidated the absolute configurations of structures 1-6, and plausible biosynthetic pathways for 1-7 were proposed based on structural relationships. Mollipilins A (1) and B (2) exhibited moderate growth inhibitory effects on HCT-116 cells.

  DOI：

  10.1021/ol302539s